SCHEMBL4085558

SCHEMBL4085558

COC(I)([C]=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.40
KCNN4 O15554 4/20 0.39
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 3/20 0.31
CA4 P22748 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2B6 P20813 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7873896 0.74 ALDH1A1 (0.46) CES1KCNN4MAPK1LMNAALDH1A1
SCHEMBL1229735 0.74 CES1 (0.42) CES1KCNN4MAPK1LMNAALDH1A1
SCHEMBL6826582 0.72 MAPK1 (0.43) CES1KCNN4MAPK1LMNAALDH1A1
SCHEMBL4080316 0.72 MAPK1 (0.43) CES1KCNN4MAPK1LMNAALDH1A1
SCHEMBL9698748 0.71 CES1 (0.44) CES1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL4080546 0.71 KCNN4 (0.44) CES1KCNN4MAPK1LMNAALDH1A1
SCHEMBL20752423 0.70 MAPK1 (0.44) CES1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL17420765 0.70 MAPK1 (0.44) CES1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL11122765 0.68 CES1 (0.41) CES1KCNN4MAPK1LMNAALDH1A1
SCHEMBL5161276 0.68 ALDH1A1 (0.38) CES1KCNN4MAPK1LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US claimed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO claimed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
WO-2007134127-A3 AGENTS FOR IMAGING APOPTOSIS UNIV TEXAS (US) 2008-01-17 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed